4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol

C25H16F3NO2 — CID 155526558

IUPAC4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol
SMILESOc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cccc(O)c2-3)cc1
InChIInChI=1S/C25H16F3NO2/c26-25(27,28)17-5-1-3-15(11-17)21-13-19(14-7-9-18(30)10-8-14)20-12-16-4-2-6-22(31)23(16)24(20)29-21/h1-11,13,30-31H,12H2
InChIKeySSOQSIZWYIHHLC-UHFFFAOYSA-N
MW419.40 g/mol
LogP6.42
Rot. Bonds2

About 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol

4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol (PubChem CID 155526558) has the molecular formula C25H16F3NO2 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol
PubChem CID155526558
Molecular FormulaC25H16F3NO2
Molecular Weight419.40 g/mol
Exact Mass419.11
IUPAC Name4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol
SMILESOc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cccc(O)c2-3)cc1
InChIInChI=1S/C25H16F3NO2/c26-25(27,28)17-5-1-3-15(11-17)21-13-19(14-7-9-18(30)10-8-14)20-12-16-4-2-6-22(31)23(16)24(20)29-21/h1-11,13,30-31H,12H2
InChIKeySSOQSIZWYIHHLC-UHFFFAOYSA-N
XLogP6.42
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol?
The IUPAC name of 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol (CID 155526558) is 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol is Oc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)nc3c2Cc2cccc(O)c2-3)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol?
The InChIKey is SSOQSIZWYIHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3NO2/c26-25(27,28)17-5-1-3-15(11-17)21-13-19(14-7-9-18(30)10-8-14)20-12-16-4-2-6-22(31)23(16)24(20)29-21/h1-11,13,30-31H,12H2.
What are the key properties of 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol?
4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol has a molecular weight of 419.40 g/mol, XLogP of 6.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-9-ol is sourced from PubChem (CID 155526558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).